SCHEMBL3289181

SCHEMBL3289181

Nc1ccc(Cl)c(C(F)(F)F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 16/20 0.45
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CHRNB2 P17787 1/20 0.34
CYP2B6 P20813 1/20 0.34
MAOA P21397 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRNA4 P43681 1/20 0.34
HTR3A P46098 1/20 0.34
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10078929 0.88 NOTUM (0.41) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL3589994 0.80 NOTUM (0.47) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL21776898 0.80 NOTUM (0.57) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL9747444 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5262035 0.77 NOTUM (0.44) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL29625082 0.77 NOTUM (0.44) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL2966751 0.77 NOTUM (0.44) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL3540180 0.77 NOTUM (0.44) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL5179619 0.76 NOTUM (0.47) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
Hydrochloric Acid SCHEMBL10767170 0.75 NOTUM (0.42) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND KASUMA PARTNERS INC. (JP) 2017-10-19 US disclosed
EP-3178810-A1 CONDENSED HETEROCYCLIC COMPOUND Kasuma Partners Inc. (JP) 2017-06-14 EP disclosed
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 NOTUM 4632/4885CYP1A2 1272/4885CYP2C9 1237/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 NOTUM 4632/4885CYP1A2 1272/4885CYP2C9 1237/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 NOTUM 4632/4885CYP1A2 1272/4885CYP2C9 1237/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 NOTUM 4596/4885CYP1A2 1202/4885CYP2C9 1090/4885
US-20170298081-A1 CONDENSED HETEROCYCLIC COMPOUND APOB, NPC1, NPC1L1 NOTUM 157/4885CYP1A2 821/4885CYP2C9 1336/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.